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Home > Imidazoles > 95160-88-6
95160-88-6 | 1H-Imidazole, 2-(1,3-benzodioxol-5-yl)-4,5-diphenyl-
CAS No: 95160-88-6 Catalog No: AG005T5U MDL No:
Product Description
Catalog Number:
AG005T5U
Chemical Name:
1H-Imidazole, 2-(1,3-benzodioxol-5-yl)-4,5-diphenyl-
CAS Number:
95160-88-6
Molecular Formula:
C22H16N2O2
Molecular Weight:
340.3746
IUPAC Name:
2-(1,3-benzodioxol-5-yl)-4,5-diphenyl-1H-imidazole
InChI:
InChI=1S/C22H16N2O2/c1-3-7-15(8-4-1)20-21(16-9-5-2-6-10-16)24-22(23-20)17-11-12-18-19(13-17)26-14-25-18/h1-13H,14H2,(H,23,24)
InChI Key:
UVLQSZPWZTUDFR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]c(nc1c1ccccc1)c1ccc2c(c1)OCO2
NSC Number:
318212
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.121g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
340.382g/mol
Monoisotopic Mass:
340.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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